Crystallography Open Database

Information card for entry 7020700

7020699 << 7020700 >> 7020701

Preview

Coordinates	7020700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H90 Cu2 N6 Ni30 O40
Calculated formula	C76 H90 Cu2 N6 Ni30 O40
Title of publication	Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.
Authors of publication	Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	2
Pages of publication	407 - 421
a	14.3288 ± 0.0009 Å
b	29.4515 ± 0.0019 Å
c	14.844 ± 0.0009 Å
α	90°
β	118.007 ± 0.001°
γ	90°
Cell volume	5530.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1078
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1847
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020700.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020700.cif
73643	2013-02-20	cif/ Adding structures of 7020694, 7020695, 7020696, 7020697, 7020698, 7020699, 7020700, 7020701 via cif-deposit CGI script.	7020700.cif